己基亚硝酸盐

己基亚硝酸盐 基本信息
CAS号 638-51-7 分子式 C6H13NO2
分子量 131.17300 精确质量  131.09500
PSA  38.66000 LogP  2.26470

基本信息 展开↓

CAS号:
638-51-7
3D弹球模型:
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分子式:
C6H13NO2
分子量:
131.17300
中文名称:
己基亚硝酸盐
英文名称:
HEXYL NITRITE
中文别名:
己基亚硝酸盐;
亚硝酸己酯;
亞硝酸己酯
英文别名:
HEXYL NITRITE;
Nitrous acid,hexylester;
Hexylnitrit;
n-Hexyl nitrite;
Salpetrigsaeure-hexylester;
1-nitrosooxy-hexane;
1-Hexyl nitrite
精确分子量/精确质量:
131.09500
极性分子表面积/PSA:
38.66000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD06797110
InChI:
The Key: SGRWGISGVDVSJV-UHFFFAOYSA-N

物化性质展开↓

密度:
0.88
沸点:
52ºC / 44mmHg
闪点:
22.3ºC
折射率:
1.43
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干爽处。储存的地方必须远离氧化剂。远离火源。冷藏。

稳定性相关:

远离氧化物,还原剂,强碱,热,火源。

其它信息:

1.       性状:黄色透明液体。

2.       密度(g/mL,25/4):0.88

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性未确定

安全信息展开↓

海关代码:
2920909090
危险类别码:
11-20/22
安全说明:
16-23-24-33-36-45
安全标志:
S16:远离火源。
S23:不要吸入蒸汽。
S24:避免接触皮肤。
S33:采取防护措施防止静电发生。
S36:穿戴合适的防护服装。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

  Hexyl Nitrite      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Hexyl Nitrite    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 2
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  Acute toxicity (Dermal)        Category 4    
    Category 4
  Acute toxicity (Inhalation)
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statements        Highly flammable liquid and vapour    
    Harmful if swallowed, in contact with skin or if inhaled
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Avoid breathing dust/fume/gas/mist/vapours/spray.
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
    Rinse mouth.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  [Storage]        Store in a well-ventilated place. Keep cool.    
  Hexyl Nitrite

Section 2. HAZARDS IDENTIFICATION
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Hexyl Nitrite    
    >95.0%(GC)
  Percent:
  CAS Number:        638-51-7    
  Chemical Formula:        C6H13NO2    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Specific hazards arising Explosion risk in case of fire. Fight fire remotely due to the risk of explosion.
    Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:
    generate poisonous fume.
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
    case of a fire. Use spark-proof tools and explosion-proof equipment.
  hazards:

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Hexyl Nitrite

Section 7. HANDLING AND STORAGE
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Be careful not to cause leakage, overflow, or dispersion. Steam should not be
    generated unnecessarily. Keep away from heat/sparks/open flame/hot surfaces. -No
    smoking. Take measures to prevent the build up of electrostatic charge. Use
    explosion-proof equipment. Avoid shock and friction. Wash hands and face before
    breaks and immediately after handling the product.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
    May develop pressure. Open carefully.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in an explosion-poof refregerator.    
    Store under inert gas.
    Be sure not to give the container unexpected impacts, such as falling down or falling
    off.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Light-sensitive, Air-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Pale yellow - Yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        52°C/5.9kPa    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        0.88    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous May explosively decompose on heating, shock, friction, etc.
  reactions:
    Heat, Spark, Open flame, Static discharge, Shock, Friction
  Conditions to avoid:
  Incompatible materials: Oxidizing agents, Strong acids, Reducing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Hexyl Nitrite

Section 11. TOXICOLOGICAL INFORMATION
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities and an expert of disposal. You may be able
    to dissolve or mix material with a combustible solvent and little by little burn in a chemical incinerator equipped with
    an afterburner and scrubber system. If a large amount of the substance is burned at a time, an explosion may
    occur. Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
  UN-No:        1993    
  Proper shipping name:        Flammable liquid, n.o.s.    
  Packing group:        II    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2920909090

概述:
2920909090 其他无机酸酯(不包括卤化氢的酯)(包括其盐及它们的卤化,磺化,硝化和亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:35.30

2、   摩尔体积(m3/mol):136.4

3、   等张比容(90.2K):323.0

4、   表面张力(dyne/cm):31.3

5、   极化率10-24cm3):13.99

计算化学数据


1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积38.7

7.重原子数量:9

8.表面电荷:0

9.复杂度:66.1

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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